CID 501351

Schembl7259148

Structural Information

Molecular Formula
C18H17F2N5O
SMILES
C1CN(CCN1)C2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)F)F
InChI
InChI=1S/C18H17F2N5O/c19-14-9-15(20)17(25-5-3-21-4-6-25)8-13(14)18(26)23-12-2-1-11-10-22-24-16(11)7-12/h1-2,7-10,21H,3-6H2,(H,22,24)(H,23,26)
InChIKey
QGSWSNQFJIQULG-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.1401 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14738 181.2
[M+Na]+ 380.12932 188.6
[M-H]- 356.13282 181.6
[M+NH4]+ 375.17392 189.2
[M+K]+ 396.10326 179.8
[M+H-H2O]+ 340.13736 168.5
[M+HCOO]- 402.13830 193.1
[M+CH3COO]- 416.15395 188.4
[M+Na-2H]- 378.11477 182.3
[M]+ 357.13955 173.4
[M]- 357.14065 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.